1-(4-氯苯基)双胍 | 5304-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-氯苯基)双胍
• 英文名称: 1-(4-chlorophenyl)biguanide
• CAS: 5304-59-6
• 化学式: C₈H₁₀ClN₅
• mdl: MFCD00045590
• 分子量: 211.65
• InChiKey: HTYFFCPFVMJTKM-UHFFFAOYSA-N

物化性质

• 熔点：
  144 °C
• 沸点：
  313.0±44.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  1

文献信息

• Iridium Supported on Phosphorus‐Doped Porous Organic Polymers: Active and Recyclable Catalyst for Acceptorless Dehydrogenation and Borrowing Hydrogen Reaction
  作者：Wei Yao、Zheng‐Chao Duan、Yilin Zhang、Xinxin Sang、Xiao‐Feng Xia、Dawei Wang

  DOI：10.1002/adsc.201900929

  日期：2019.12.17

  catalyst, which was thoroughly characterized by means of EDS, SEM, TEM, XRD, XPS, and FT‐IR, revealed excellent catalytic activity for the reaction of diphenyl phosphinamide with benzyl alcohols through borrowing hydrogen strategy and acceptorless dehydrogenation with wide functional group tolerance. Moreover, this POP−Ir catalyst could be simply recovered and reused for at least five times without a significant

  铱掺杂磷的多孔有机聚合物（POP-Ir）是通过将简单的铱通过配位键固定在多孔有机聚合物的骨架上而开发的。该POP-Ir催化剂通过EDS，SEM，TEM，XRD，XPS和FT-IR进行了彻底表征，通过借用氢策略和无受体的广泛脱氢反应，显示出对二苯基膦酰胺与苄醇反应的出色催化活性。功能组耐受性。此外，这种POP-Ir催化剂可以简单地回收和再利用至少五次，而不会显着降低活性，并显示出可观的应用前景。对该机制进行了研究，以进一步了解该POP-Ir催化体系和转化。全面的，
• Synthesis and<i> In Vitro</i> AMPK Activation of Cycloalkyl/Alkarylbiguanides with Robust<i> In Vivo</i> Antihyperglycemic Action
  作者：Erika Gutierrez-Lara、Carlos Martínez-Conde、Edgar Rosales-Ortega、Juan José Ramírez-Espinosa、Julio C. Rivera-Leyva、David Centurión、Karla Carvajal、Daniel Ortega-Cuellar、Samuel Estrada-Soto、Gabriel Navarrete-Vázquez

  DOI：10.1155/2017/1212609

  日期：——

  This work describes the design, synthesis in one step, and the in vitro, in vivo, and in silico antidiabetic evaluation of a series of ten alicyclic and aromatic (alkyl +aryl: alkaryl)biguanides, analogues of metformin and phenformin. The design was conceived using isosteric replacement, chain-ring transformation, and lower and higher homologation strategies. All compounds were obtained as crystals and their structure was confirmed on the basis of their spectral data (NMR and mass spectra), and their purity was ascertained by microanalysis. Compounds were in vitro evaluated as activators of AMP-Activated Protein Kinase (AMPK). The results indicated that compounds 4, 5, and 6 showed similar or even better effect compared to metformin. Docking analysis was performed with regulatory subunit γ of AMPK, showing several interactions with nucleotide binding pocket. The in vivo evaluation of compounds 4–6 at a single dose of 50 mg/kg was performed in a murine experimental model of diabetes. The results showed an important and robust decrease of plasmatic glucose levels (−40%). Compound 6 was selected for an oral glucose tolerance test, showing an antihyperglycemic effect similar to metformin. The in vivo results indicated that compounds 4–6 may be effective in treating experimental T2DM.

  这项工作描述了设计、一步合成以及一系列十种脂环和芳香（烷基+芳基：烷芳基）双胍类似物（与二甲双胍和苯乙双胍类似物）的体外、体内和体外抗糖尿病评价。设计是通过同位素替代、链环转化以及较低和较高同系物策略构思的。所有化合物均以晶体形式获得，并根据其光谱数据（NMR和质谱）确认了其结构，通过微量分析确定了其纯度。化合物在体外被评估为AMP激活蛋白激酶（AMPK）的激活剂。结果表明，化合物4、5和6与二甲双胍相比显示出类似或甚至更好的效果。使用AMPK的调节亚基γ进行对接分析，显示出与核苷酸结合口袋的多个相互作用。在小鼠糖尿病实验模型中，对化合物4-6进行了50mg/kg的单剂量体内评价。结果显示血浆葡萄糖水平显著下降（-40%）。选择化合物6进行口服葡萄糖耐量试验，显示出与二甲双胍类似的抗高血糖效果。体内结果表明，化合物4-6可能有效治疗实验性T2DM。
• Reaction of Biguanides and Related Compounds. VIII. The Condensation of Arylbiguanides and N-Amidino-O-alkylisoureas with Diketene and Ethyl Acetoacetate
  作者：MITSURU FURUKAWA、TAKATOSHI YOSHIDA、MOTOO GOTO、SEIGORO HAYASHI

  DOI：10.1248/cpb.21.2594

  日期：——

  The reaction of arylbiguanides and N-amidino-O-alkylisoureas with diketene was found to proceed through the acylated intermediates to give pyrimidines and s-triazines. The reaction of arylbiguanides with ethyl acetoacetate was also attempted and the proportion of pyrimidines and s-triazines obtained was found to be almost equall to that in the case of the reaction with diketene. Therefore, this reaction was also elucidated to proceed via the acylated intermediates.

  发现芳基胍类和 N-脒基-O-烷基异脲类与二乙烯的反应通过酰化中间体进行，生成嘧啶和 s-三嗪。还尝试了芳基双胍与乙酰乙酸乙酯的反应，发现得到的嘧啶和 s-三嗪的比例几乎与与二酮烯反应的比例相同。因此，该反应也被证实是通过酰化中间体进行的。
• Community development and the voluntary sector in the new millennium: the implications of the Third Way in the UK
  作者：K. Popple、M. Redmond

  DOI：10.1093/cdj/35.4.391

  日期：2000.10.1

  New Labour's election in May 1997 ended eighteen years of Conservative rule with a majority of over 170 seats in the House of Commons. The incoming administration inherited a strong economy and continued with spending limits and a number of key policies set by the previous Conservative Government. It introduced the notion of the Third Way that can be viewed as a pragmatic response to the needs of government and the increasing cost involved in delivering welfare. The volunteer sector is emerging as an influential provider of welfare services, which has given community development a funding boost. However, in this context there is a danger that community development will again be used as a tool to placate disaffected communities. This runs counter to community development's core values of acting as a liberator among the poorest in society.

  新工党在 1997 年 5 月的选举中以超过 170 个下议院多数席位的优势结束了保守党长达 18 年的统治。新一届政府继承了强劲的经济，并继续执行上届保守党政府制定的支出限额和一系列重要政策。新政府提出了 "第三条道路 "的概念，这可以被视为对政府需求和日益增长的福利成本的务实回应。志愿服务部门正在成为有影响力的福利服务提供者，这为社区发展提供了资金支持。然而，在这种情况下，社区发展有可能再次被用作安抚心怀不满的社区的工具。这与社区发展的核心价值--作为社会最贫困人口的解放者--背道而驰。
• [EN] OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES<br/>[FR] OXABOROLES ET LEURS SELS, ET LEUR UTILISATION COMME BIOCIDES
  申请人：ZENECA LIMITED

  公开号：WO1995033754A1

  公开（公告）日：1995-12-14

  (EN) The use of oxaboroles and salts thereof as industrial biocides especially fungicides for the protection of plastics materials such as plasticised PVC. Preferred compounds are 5- and 6-fluoro or bromo- 1,3-dihydro-1-hydroxy-2,1-benzoxaborole including O-esters thereof.(FR) On peut utiliser des oxaboroles et leurs sels comme biocides industriels et notamment comme fongicides destinés à protéger des matériaux plastiques tels que du PCV mou. Les composés préférés sont des 5- et 6-fluoro ou bromo-1,3-dihydro-1-hydroxy-2,1-benzoxaborole et leurs esters.

  使用氧硼烷及其盐作为工业杀菌剂，尤其是用于保护塑料材料如塑化PVC的杀菌剂。首选化合物为5-和6-氟或溴-1,3-二氢-1-羟基-2,1-苯并氧硼烷及其O-酯。